Compound Detail
CHEMBL492224
PHYSALIN O Enter ChEMBL ID:
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C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL492224 |
| Name | PHYSALIN O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFAOFAWTSOFSQA-HRLARMCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
0.51
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.77 | 4.77 | 17110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 17110.0 | nM | 4.77 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18348534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18348534 | 10.1021/np700713r | RAW264.7 | 1 |
| 24900739 | 10.1021/ml400144e | NF-kappa-B inhibitor alpha | 1 |
| 24900739 | 10.1021/ml400144e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine